1-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanone

C11H18O — CID 20829148

IUPAC1-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanone
SMILESCC(=O)C1(C)C2CCC(C2)C1C
InChIInChI=1S/C11H18O/c1-7-9-4-5-10(6-9)11(7,3)8(2)12/h7,9-10H,4-6H2,1-3H3
InChIKeyCDNZIAMEVQBAJD-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.65
Rot. Bonds1

About 1-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanone

1-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanone (PubChem CID 20829148) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanone.

Molecular Properties

Compound Name1-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanone
PubChem CID20829148
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanone
SMILESCC(=O)C1(C)C2CCC(C2)C1C
InChIInChI=1S/C11H18O/c1-7-9-4-5-10(6-9)11(7,3)8(2)12/h7,9-10H,4-6H2,1-3H3
InChIKeyCDNZIAMEVQBAJD-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanone?
The IUPAC name of 1-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanone (CID 20829148) is 1-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanone.
What is the SMILES notation for 1-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanone?
The canonical SMILES for 1-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanone is CC(=O)C1(C)C2CCC(C2)C1C.
What is the InChIKey of 1-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanone?
The InChIKey is CDNZIAMEVQBAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-7-9-4-5-10(6-9)11(7,3)8(2)12/h7,9-10H,4-6H2,1-3H3.
What are the key properties of 1-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanone?
1-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanone has a molecular weight of 166.26 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanone is sourced from PubChem (CID 20829148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).